#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgl s ASP 2 N 0.00 5.07 0.60 0.00 -4.77 -1.26 -4.54 116.67 111.76 2kgl s ASP 2 Ca 0.00 -0.08 -0.18 0.00 -3.30 0.00 0.00 52.55 48.99 2kgl s ASP 2 Cb 0.00 -1.27 -0.03 0.00 -1.09 0.00 0.00 42.92 40.53 2kgl s ASP 2 CO 0.00 0.24 1.15 0.42 0.70 0.00 0.00 175.17 177.67 2kgl s THR 3 N -1.18 3.00 0.01 2.11 -4.23 -1.26 -4.98 115.64 109.11 2kgl s THR 3 Ca 0.22 0.57 -0.23 0.00 -1.18 0.00 0.00 61.69 61.06 2kgl s THR 3 Cb -0.12 -3.16 -0.18 0.00 1.34 0.00 0.00 72.50 70.39 2kgl s THR 3 CO 0.14 -0.19 1.30 1.55 -0.54 0.00 0.00 174.62 176.88 2kgl h PRO 4 N 0.69 0.16 -3.03 3.99 0.13 -1.99 -3.49 132.00 128.46 2kgl h PRO 4 Ca -0.49 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 2kgl h PRO 4 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 2kgl h PRO 4 CO 0.55 0.60 -0.09 0.41 -0.23 0.00 0.00 178.00 179.25 2kgl n GLY 5 N 0.21 0.61 0.19 1.56 0.00 -1.26 -4.90 105.19 101.60 2kgl n GLY 5 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2kgl n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgl n GLU 6 N -1.59 0.00 -2.88 1.61 1.02 -1.26 -5.03 120.64 112.51 2kgl n GLU 6 Ca -0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 2kgl n GLU 6 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.94 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kgl n ALA 7 N -2.30 5.05 -2.39 0.62 0.00 -1.26 -4.99 120.51 115.24 2kgl n ALA 7 Ca 0.00 -4.64 -0.30 0.00 0.00 0.00 0.00 53.44 48.50 2kgl n ALA 7 Cb 0.00 -2.55 -0.13 0.00 0.00 0.00 0.00 19.45 16.76 2kgl n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kgl s THR 8 N -1.63 2.34 0.96 0.00 -1.32 -1.26 -5.03 115.64 109.70 2kgl s THR 8 Ca 0.34 -1.55 -0.12 0.00 -1.21 0.00 0.00 61.69 59.15 2kgl s THR 8 Cb 0.04 -1.99 0.17 0.00 -1.51 0.00 0.00 72.50 69.20 2kgl s THR 8 CO 0.05 0.21 1.09 -2.16 -2.21 0.00 0.00 174.62 171.61 2kgl s PRO 9 N -1.72 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.79 2kgl s PRO 9 Ca 0.14 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 2kgl s PRO 9 Cb -0.10 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2kgl s PRO 9 CO 0.05 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.38 2kgl s PRO 10 N -4.95 0.74 -1.08 0.56 0.04 -1.26 -4.89 135.00 124.17 2kgl s PRO 10 Ca 0.65 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 2kgl s PRO 10 Cb -0.18 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2kgl s PRO 10 CO 0.57 -2.55 1.94 -1.25 0.04 0.00 0.00 177.00 175.76 2kgl s PRO 11 N -4.95 2.52 -0.02 0.56 0.04 -1.26 -4.77 135.00 127.11 2kgl s PRO 11 Ca 0.65 -0.84 -0.24 0.00 0.04 0.00 0.00 61.00 60.60 2kgl s PRO 11 Cb -0.18 -5.18 -0.18 0.00 0.04 0.00 0.00 34.50 29.00 2kgl s PRO 11 CO 0.57 -3.76 1.12 0.00 0.04 0.00 0.00 177.00 174.98 2kgl h ARG 12 N 10.30 -0.18 0.00 4.56 3.08 -2.02 -3.42 114.38 126.70 2kgl h ARG 12 Ca 0.17 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2kgl h ARG 12 Cb 0.96 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 2kgl h ARG 12 CO 1.22 0.24 -0.22 1.63 -1.07 0.00 0.00 179.97 181.77 2kgl n LYS 13 N -4.95 0.00 0.01 0.04 4.76 -1.26 -4.87 118.16 111.88 2kgl n LYS 13 Ca -0.08 -0.45 -0.18 0.00 -2.87 0.00 0.00 58.31 54.72 2kgl n LYS 13 Cb 0.26 -0.15 -0.10 0.00 -1.84 0.00 0.00 35.03 33.21 2kgl n LYS 13 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2kgl h LYS 14 N 0.03 0.63 -0.41 1.97 2.10 -1.82 -3.27 116.57 115.81 2kgl h LYS 14 Ca -0.04 -0.62 0.00 0.00 -2.00 0.00 0.00 60.65 58.00 2kgl h LYS 14 Cb 1.19 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2kgl h LYS 14 CO -0.01 1.22 0.00 1.17 -2.00 0.00 0.00 179.45 179.83 2kgl n LYS 15 N -4.01 3.72 -0.07 0.07 4.81 -1.26 -3.97 118.16 117.45 2kgl n LYS 15 Ca -0.10 -2.93 -0.08 0.00 -0.87 0.00 0.00 58.31 54.33 2kgl n LYS 15 Cb 0.76 -1.98 -0.05 0.00 0.02 0.00 0.00 35.03 33.78 2kgl n LYS 15 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kgl h ASP 16 N 2.80 0.00 -4.92 3.14 3.58 -1.89 -3.51 116.42 115.63 2kgl h ASP 16 Ca 0.00 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.16 2kgl h ASP 16 Cb 1.61 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.54 2kgl h ASP 16 CO 0.31 0.85 -1.51 -0.38 -2.88 0.00 0.00 179.24 175.62 2kgl n ILE 17 N -4.64-12.92 -1.64 2.25 5.41 -1.26 -4.51 119.36 102.05 2kgl n ILE 17 Ca -0.10 2.83 -0.50 0.00 1.00 0.00 0.00 62.75 65.98 2kgl n ILE 17 Cb 0.29 -6.47 -0.05 0.00 -0.71 0.00 0.00 39.64 32.70 2kgl n ILE 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2kgl n ARG 18 N 1.70 1.78 -1.44 0.38 0.00 -1.26 0.10 116.66 117.93 2kgl n ARG 18 Ca -0.37 0.62 -0.16 0.00 -0.00 0.00 0.00 57.85 57.95 2kgl n ARG 18 Cb 0.57 -2.55 -0.07 0.00 0.00 0.00 0.00 32.46 30.42 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kgl n ASP 19 N 7.32 -5.23 -1.96 6.15 -0.08 -1.26 0.04 116.55 121.53 2kgl n ASP 19 Ca 0.27 0.39 -0.12 0.00 -1.51 0.00 0.00 54.79 53.82 2kgl n ASP 19 Cb 0.26 -4.32 -0.03 0.00 2.34 0.00 0.00 41.12 39.38 2kgl n ASP 19 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kgl n TYR 20 N -2.21 -1.00 0.00 -0.67 4.02 0.12 -3.99 117.16 113.43 2kgl n TYR 20 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2kgl n TYR 20 Cb 0.61 -2.56 0.00 0.00 -0.02 0.00 0.00 39.34 37.37 2kgl n TYR 20 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kgl n ASN 21 N -1.15 0.00 0.29 7.72 6.94 -0.75 -4.94 115.26 123.37 2kgl n ASN 21 Ca -0.13 0.00 0.20 0.00 -0.02 0.00 0.00 54.58 54.63 2kgl n ASN 21 Cb 0.51 0.00 1.05 0.00 -2.36 0.00 0.00 39.78 38.98 2kgl n ASN 21 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2kgl h ASP 22 N 0.00 0.00 -0.76 0.53 5.19 -0.52 -2.87 116.42 117.99 2kgl h ASP 22 Ca 0.00 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 2kgl h ASP 22 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 2kgl h ASP 22 CO 0.00 0.00 -0.06 0.00 -3.12 0.00 0.00 179.24 176.06 2kgl h ALA 23 N 2.00 0.69 -0.81 3.45 0.00 -1.56 0.24 119.26 123.28 2kgl h ALA 23 Ca 0.00 0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2kgl h ALA 23 Cb 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 2kgl h ALA 23 CO 0.00 -0.43 0.36 0.38 0.00 0.00 0.00 179.25 179.56 2kgl h ASP 24 N 0.06 0.37 -0.63 0.00 2.03 -1.83 -0.62 116.42 115.80 2kgl h ASP 24 Ca 0.40 0.11 0.11 0.00 -0.73 0.00 0.00 57.03 56.92 2kgl h ASP 24 Cb 0.68 0.07 -0.08 0.00 -0.83 0.00 0.00 39.33 39.17 2kgl h ASP 24 CO -0.71 0.13 0.20 -0.03 -1.03 0.00 0.00 179.24 177.80 2kgl h MET 25 N 0.50 0.35 -0.91 4.15 4.05 -0.72 0.25 114.93 122.59 2kgl h MET 25 Ca 0.45 -0.02 0.21 0.00 -0.28 0.00 0.00 59.70 60.06 2kgl h MET 25 Cb 0.70 -0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 31.35 2kgl h MET 25 CO -0.41 0.23 0.60 0.00 0.23 0.00 0.00 176.91 177.56 2kgl h ALA 26 N 1.46 2.20 -0.20 0.39 0.00 -0.97 0.26 119.26 122.40 2kgl h ALA 26 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kgl h ALA 26 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kgl h ALA 26 CO -0.36 -0.49 0.12 -0.09 0.00 0.00 0.00 179.25 178.43 2kgl h ARG 27 N 0.41 0.26 -0.67 0.00 9.65 -0.90 -2.48 114.38 120.66 2kgl h ARG 27 Ca 0.48 -0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.47 2kgl h ARG 27 Cb 1.18 -0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 29.60 2kgl h ARG 27 CO -0.18 0.18 0.16 -0.07 2.80 0.00 0.00 179.97 182.86 2kgl h LEU 28 N 0.27 0.02 -1.84 3.80 3.38 -0.49 0.25 115.31 120.70 2kgl h LEU 28 Ca 0.07 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.33 2kgl h LEU 28 Cb -0.01 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2kgl h LEU 28 CO -0.01 -0.00 0.45 0.25 0.09 0.00 0.00 178.44 179.21 2kgl h LEU 29 N 0.28 0.15 -1.02 1.67 5.85 -1.56 0.24 115.31 120.92 2kgl h LEU 29 Ca 0.36 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.99 2kgl h LEU 29 Cb 0.57 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2kgl h LEU 29 CO -0.45 0.08 -0.46 -0.33 -0.34 0.00 0.00 178.44 176.94 2kgl h GLU 30 N 0.16 0.00 -0.80 1.25 4.39 -0.62 -3.07 114.58 115.90 2kgl h GLU 30 Ca 0.31 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.02 2kgl h GLU 30 Cb 0.99 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 2kgl h GLU 30 CO -0.05 0.46 0.53 0.37 -1.16 0.00 0.00 179.01 179.16 2kgl h GLN 31 N 0.00 1.03 -0.37 2.33 -0.00 -0.30 -2.38 115.11 115.42 2kgl h GLN 31 Ca -0.00 -0.06 0.08 0.00 -0.00 0.00 0.00 58.65 58.66 2kgl h GLN 31 Cb 0.87 -0.23 -0.08 0.00 0.00 0.00 0.00 27.48 28.04 2kgl h GLN 31 CO 0.06 0.68 -0.16 2.35 0.00 0.00 0.00 178.83 181.76 2kgl h TRP 32 N 1.06 -0.39 -0.31 3.99 7.01 -1.53 0.93 115.95 126.71 2kgl h TRP 32 Ca 0.30 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.31 2kgl h TRP 32 Cb -0.09 0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2kgl h TRP 32 CO -0.02 -0.24 0.05 1.49 -2.79 0.00 0.00 178.44 176.94 2kgl h GLU 33 N -0.09 0.46 0.00 2.65 4.22 -1.61 -1.67 114.58 118.53 2kgl h GLU 33 Ca 0.19 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.49 2kgl h GLU 33 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2kgl h GLU 33 CO -0.43 0.44 -0.29 -0.22 -2.18 0.00 0.00 179.01 176.33 2kgl h LYS 34 N 0.45 0.00 -1.03 1.92 3.11 -0.49 -2.99 116.57 117.54 2kgl h LYS 34 Ca 0.10 0.00 0.26 0.00 -2.81 0.00 0.00 60.65 58.20 2kgl h LYS 34 Cb 0.21 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 31.34 2kgl h LYS 34 CO -0.00 0.29 0.64 0.22 -2.81 0.00 0.00 179.45 177.79 2kgl h ASP 35 N 0.00 0.53 0.00 4.20 3.58 0.09 0.45 116.42 125.28 2kgl h ASP 35 Ca -0.00 0.10 -0.22 0.00 0.42 0.00 0.00 57.03 57.33 2kgl h ASP 35 Cb 0.75 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 2kgl h ASP 35 CO 0.04 0.10 -1.28 -0.67 -2.88 0.00 0.00 179.24 174.54 2kgl n ASP 36 N -4.72 1.86 0.00 2.28 -0.08 -1.16 -4.65 116.55 110.08 2kgl n ASP 36 Ca 0.26 0.44 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 2kgl n ASP 36 Cb 0.83 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 43.35 2kgl n ASP 36 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kgl n ASP 37 N -4.44 0.00 -2.32 1.67 9.92 -1.02 -5.01 116.55 115.35 2kgl n ASP 37 Ca -0.31 0.96 -0.00 0.00 -0.53 0.00 0.00 54.79 54.91 2kgl n ASP 37 Cb 0.64 -0.48 -0.00 0.00 -0.64 0.00 0.00 41.12 40.63 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kgl n ILE 38 N -1.95 -8.83 0.00 0.53 5.41 0.16 -5.05 119.36 109.63 2kgl n ILE 38 Ca 0.00 1.27 0.00 0.00 1.00 0.00 0.00 62.75 65.02 2kgl n ILE 38 Cb 0.00 -5.98 0.00 0.00 -0.71 0.00 0.00 39.64 32.95 2kgl n ILE 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kgl n GLU 39 N 0.49 0.00 -1.69 0.38 4.71 -1.26 -5.12 120.64 118.15 2kgl n GLU 39 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 2kgl n GLU 39 Cb 0.01 -0.60 0.00 0.00 -1.01 0.00 0.00 31.44 29.84 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2kgl n GLU 40 N -2.14 0.00 0.00 3.49 0.00 -1.26 -5.03 120.64 115.70 2kgl n GLU 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2kgl n GLU 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kgl n GLY 41 N 0.00 2.41 3.58 8.31 0.00 -1.22 -4.31 105.19 113.96 2kgl n GLY 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kgl n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kgl s ASP 42 N -0.89 5.40 0.40 1.61 2.15 -1.26 -4.17 116.67 119.91 2kgl s ASP 42 Ca 0.00 -1.79 -0.03 0.00 0.43 0.00 0.00 52.55 51.16 2kgl s ASP 42 Cb 0.00 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2kgl s ASP 42 CO 0.00 -2.68 0.66 -0.76 -0.17 0.00 0.00 175.17 172.21 2kgl s LEU 43 N 9.61 3.85 0.15 -1.34 2.01 -1.26 -5.02 118.68 126.68 2kgl s LEU 43 Ca 0.65 0.71 -0.10 0.00 0.01 0.00 0.00 54.13 55.41 2kgl s LEU 43 Cb 0.00 -3.61 -0.01 0.00 0.01 0.00 0.00 46.19 42.58 2kgl s LEU 43 CO 0.12 -0.40 1.49 1.55 1.01 0.00 0.00 176.35 180.11 2kgl h PRO 44 N 0.68 0.90 -5.67 1.29 0.13 -1.93 -3.49 132.00 123.90 2kgl h PRO 44 Ca -0.48 -0.47 -0.03 0.00 -0.87 0.00 0.00 66.00 64.14 2kgl h PRO 44 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kgl h PRO 44 CO 0.62 1.12 -0.96 0.39 -0.23 0.00 0.00 178.00 178.95 2kgl n GLU 45 N -4.05 -2.20 0.05 0.86 1.02 -1.26 -4.90 120.64 110.15 2kgl n GLU 45 Ca -0.02 1.95 -0.10 0.00 -0.02 0.00 0.00 57.16 58.97 2kgl n GLU 45 Cb 0.55 -3.72 0.03 0.00 -0.02 0.00 0.00 31.44 28.27 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kgl h HIS 46 N 3.04 0.57 0.00 -0.32 2.07 -1.94 -3.48 115.15 115.09 2kgl h HIS 46 Ca -0.05 -0.25 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 2kgl h HIS 46 Cb 0.56 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.45 2kgl h HIS 46 CO 0.02 1.00 0.00 1.63 -3.07 0.00 0.00 177.93 177.51 2kgl n LYS 47 N -3.85 0.00 -3.41 5.12 5.02 -1.26 -5.07 118.16 114.70 2kgl n LYS 47 Ca -0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 2kgl n LYS 47 Cb 0.70 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.71 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgl n ARG 48 N -1.82 -1.41 -2.26 1.97 5.12 -1.26 -4.56 116.66 112.44 2kgl n ARG 48 Ca 0.00 1.07 -0.37 0.00 -1.93 0.00 0.00 57.85 56.62 2kgl n ARG 48 Cb 0.00 -4.35 -0.01 0.00 -1.16 0.00 0.00 32.46 26.94 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kgl s PRO 49 N -4.15 3.75 0.18 5.56 0.04 -1.26 -4.95 135.00 134.18 2kgl s PRO 49 Ca 0.09 1.77 0.09 0.00 0.04 0.00 0.00 61.00 62.99 2kgl s PRO 49 Cb -0.03 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2kgl s PRO 49 CO 0.82 -0.56 -0.19 -1.12 0.04 0.00 0.00 177.00 175.98 2kgl s SER 50 N -1.37 2.92 0.29 6.66 0.01 -1.26 -5.11 113.70 115.84 2kgl s SER 50 Ca 0.64 -0.89 0.12 0.00 1.31 0.00 0.00 55.95 57.13 2kgl s SER 50 Cb -0.28 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 2kgl s SER 50 CO 0.34 -0.00 -0.19 0.00 0.41 0.00 0.00 173.24 173.80 2kgl s ALA 51 N -2.07 2.78 -1.09 1.44 0.00 -1.26 -4.45 121.76 117.11 2kgl s ALA 51 Ca 0.19 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.01 2kgl s ALA 51 Cb -0.06 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 2kgl s ALA 51 CO 0.08 0.26 1.94 -1.25 0.00 0.00 0.00 175.76 176.79 2kgl s PRO 52 N -3.52 2.52 -0.32 0.00 0.04 -1.26 -4.70 135.00 127.76 2kgl s PRO 52 Ca 0.30 -0.87 0.07 0.00 0.04 0.00 0.00 61.00 60.54 2kgl s PRO 52 Cb -0.04 -5.18 0.46 0.00 0.04 0.00 0.00 34.50 29.78 2kgl s PRO 52 CO 0.15 -3.78 1.34 0.44 0.04 0.00 0.00 177.00 175.19 2kgl n ILE 53 N 7.83 2.59 -3.22 0.56 -5.35 -1.26 -4.98 119.36 115.53 2kgl n ILE 53 Ca 0.43 -3.61 -0.21 0.00 -0.27 0.00 0.00 62.75 59.08 2kgl n ILE 53 Cb 0.47 -0.81 0.06 0.00 -1.74 0.00 0.00 39.64 37.61 2kgl n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2kgl n ASP 54 N -0.89 2.30 0.00 7.28 5.68 -1.26 -5.04 116.55 124.62 2kgl n ASP 54 Ca 0.39 -2.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 2kgl n ASP 54 Cb 0.90 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 2kgl n ASP 54 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2kgl n PHE 55 N -2.20 0.00 -3.03 2.11 3.72 -1.26 -5.00 117.46 111.80 2kgl n PHE 55 Ca 0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.42 2kgl n PHE 55 Cb 0.62 -0.27 0.05 0.00 -0.94 0.00 0.00 39.48 38.94 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kgl n SER 56 N -1.32 -6.35 -1.59 4.37 2.88 -1.24 -4.95 113.62 105.42 2kgl n SER 56 Ca 0.00 -0.53 -0.00 0.00 -1.33 0.00 0.00 58.87 57.01 2kgl n SER 56 Cb 0.00 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 57 N -2.79 0.05 0.00 -1.46 4.81 -1.26 -5.07 118.16 112.44 2kgl n LYS 57 Ca -0.05 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2kgl n LYS 57 Cb 0.59 0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.65 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kgl n LEU 58 N -0.07 0.74 -4.72 3.14 7.99 -1.26 -5.02 117.00 117.79 2kgl n LEU 58 Ca -0.02 0.13 -0.23 0.00 -0.01 0.00 0.00 56.01 55.88 2kgl n LEU 58 Cb 0.52 -0.26 -0.06 0.00 -0.11 0.00 0.00 43.42 43.51 2kgl n LEU 58 CO -0.01 -0.26 -0.25 -1.81 -1.51 0.00 0.00 177.39 173.55 2kgl s ASP 59 N -2.27 4.93 -1.17 -1.43 1.11 -1.26 -5.03 116.67 111.55 2kgl s ASP 59 Ca 0.00 -0.50 -0.23 0.00 0.18 0.00 0.00 52.55 52.00 2kgl s ASP 59 Cb 0.00 -1.05 -0.09 0.00 1.07 0.00 0.00 42.92 42.85 2kgl s ASP 59 CO 0.00 -0.04 1.93 -0.81 1.18 0.00 0.00 175.17 177.43 2kgl n PRO 60 N -1.03 1.60 -4.82 8.23 -0.04 -1.26 -4.90 135.00 132.78 2kgl n PRO 60 Ca -0.07 -2.45 -0.26 0.00 -0.04 0.00 0.00 63.50 60.68 2kgl n PRO 60 Cb 0.59 -3.70 -0.16 0.00 -0.04 0.00 0.00 33.50 30.18 2kgl n PRO 60 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kgl s GLY 61 N 6.40 0.94 -0.35 0.55 0.00 -1.26 -5.03 107.32 108.57 2kgl s GLY 61 Ca 0.68 -0.66 -0.00 0.00 0.00 0.00 0.00 44.72 44.74 2kgl s GLY 61 CO 0.14 -0.23 1.21 1.17 0.00 0.00 0.00 173.10 175.38 2kgl n LYS 62 N 3.35 0.24 -1.25 2.90 4.81 -1.26 -5.07 118.16 121.89 2kgl n LYS 62 Ca -0.19 -0.88 -0.31 0.00 -0.87 0.00 0.00 58.31 56.06 2kgl n LYS 62 Cb 0.53 -0.41 0.10 0.00 0.02 0.00 0.00 35.03 35.26 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kgl s PRO 63 N 0.18 2.12 0.43 1.64 0.04 -1.26 -4.96 135.00 133.20 2kgl s PRO 63 Ca 0.26 1.13 0.23 0.00 0.04 0.00 0.00 61.00 62.66 2kgl s PRO 63 Cb 0.22 -1.88 0.36 0.00 0.04 0.00 0.00 34.50 33.24 2kgl s PRO 63 CO -0.12 -1.72 1.61 0.93 0.04 0.00 0.00 177.00 177.74 2kgl h GLU 64 N -1.19 0.00 0.00 4.56 5.08 -2.02 -3.21 114.58 117.81 2kgl h GLU 64 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2kgl h GLU 64 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kgl h GLU 64 CO 0.52 0.00 0.01 1.03 -1.00 0.00 0.00 179.01 179.56 2kgl h SER 65 N 0.00 0.00 -0.38 1.42 0.87 -1.93 -1.78 113.55 111.75 2kgl h SER 65 Ca 0.00 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 2kgl h SER 65 Cb 0.99 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2kgl h SER 65 CO 0.00 0.00 0.33 -0.29 -0.53 0.00 0.00 176.83 176.34 2kgl h ILE 66 N 0.00 0.57 0.00 2.23 -0.00 -1.93 0.26 117.51 118.64 2kgl h ILE 66 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 2kgl h ILE 66 Cb 0.01 0.75 -0.00 0.00 -0.00 0.00 0.00 36.82 37.58 2kgl h ILE 66 CO 0.00 0.00 -0.03 -0.07 -0.00 0.00 0.00 178.15 178.05 2kgl h LEU 67 N 0.00 0.00 -2.35 2.19 3.38 -1.60 -2.09 115.31 114.84 2kgl h LEU 67 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2kgl h LEU 67 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2kgl h LEU 67 CO -0.00 0.03 -0.00 0.50 0.09 0.00 0.00 178.44 179.06 2kgl h LYS 68 N 0.00 0.00 0.17 1.13 1.63 -0.68 -2.86 116.57 115.96 2kgl h LYS 68 Ca -0.00 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2kgl h LYS 68 Cb 0.25 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 2kgl h LYS 68 CO 0.00 0.00 -0.43 1.98 -3.45 0.00 0.00 179.45 177.55 2kgl h MET 69 N 0.00 -0.67 -4.82 1.90 4.05 -1.54 -3.47 114.93 110.37 2kgl h MET 69 Ca -0.00 0.05 -0.28 0.00 -0.28 0.00 0.00 59.70 59.18 2kgl h MET 69 Cb 0.00 0.15 0.12 0.00 -0.80 0.00 0.00 31.60 31.08 2kgl h MET 69 CO 0.00 -0.45 -0.57 2.41 0.23 0.00 0.00 176.91 178.53 2kgl n THR 70 N -5.48 -3.59 -2.39 -0.77 -1.04 -1.08 -4.42 114.28 95.51 2kgl n THR 70 Ca -0.08 -0.21 -0.04 0.00 -2.04 0.00 0.00 64.05 61.68 2kgl n THR 70 Cb 0.39 -3.98 -0.04 0.00 -1.82 0.00 0.00 70.33 64.88 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kgl n LYS 71 N -3.72 -3.99 0.00 -2.82 4.81 -1.26 -4.89 118.16 106.30 2kgl n LYS 71 Ca -0.12 3.06 0.00 0.00 -0.87 0.00 0.00 58.31 60.39 2kgl n LYS 71 Cb 0.59 -4.43 0.00 0.00 0.02 0.00 0.00 35.03 31.22 2kgl n LYS 71 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kgl n LYS 72 N 1.46 0.00 0.00 1.64 4.76 -1.26 -5.05 118.16 119.71 2kgl n LYS 72 Ca -0.33 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2kgl n LYS 72 Cb 0.51 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kgl n GLY 73 N 1.09 0.60 3.04 0.72 0.00 -1.26 -4.99 105.19 104.40 2kgl n GLY 73 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2kgl n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kgl s LYS 74 N 0.00 0.57 0.33 1.61 2.36 -1.22 -0.06 119.74 123.33 2kgl s LYS 74 Ca 0.00 -0.54 -0.05 0.00 -2.55 0.00 0.00 55.97 52.83 2kgl s LYS 74 Cb 0.00 -0.47 0.08 0.00 -1.05 0.00 0.00 37.83 36.39 2kgl s LYS 74 CO 0.00 0.11 0.19 0.25 1.55 0.00 0.00 175.35 177.45 2kgl n THR 75 N 2.13 0.00 -4.77 3.43 -2.24 -1.25 -4.82 114.28 106.76 2kgl n THR 75 Ca -0.18 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.36 2kgl n THR 75 Cb 0.56 -0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.42 2kgl n THR 75 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kgl s LEU 76 N 0.00 1.98 -0.27 3.22 2.96 -1.26 -4.68 118.68 120.62 2kgl s LEU 76 Ca 0.15 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 2kgl s LEU 76 Cb -0.03 -0.87 0.12 0.00 0.50 0.00 0.00 46.19 45.92 2kgl s LEU 76 CO 0.12 0.18 0.57 0.00 -1.32 0.00 0.00 176.35 175.90 2kgl s MET 77 N -0.21 0.49 -0.12 1.98 0.23 -1.19 -3.13 119.30 117.34 2kgl s MET 77 Ca 0.03 1.28 -0.17 0.00 -1.03 0.00 0.00 55.69 55.80 2kgl s MET 77 Cb -0.08 0.66 0.04 0.00 -1.53 0.00 0.00 34.83 33.92 2kgl s MET 77 CO 0.00 -0.25 0.44 -1.64 -2.03 0.00 0.00 175.02 171.55 2kgl s MET 78 N 2.80 0.60 -0.15 3.16 -1.94 -0.50 -0.83 119.30 122.44 2kgl s MET 78 Ca -0.03 0.41 -0.05 0.00 -1.71 0.00 0.00 55.69 54.31 2kgl s MET 78 Cb -0.12 0.29 0.07 0.00 2.01 0.00 0.00 34.83 37.08 2kgl s MET 78 CO -0.17 -0.11 0.31 -0.06 -0.01 0.00 0.00 175.02 174.98 2kgl s PHE 79 N -0.23 -0.53 -0.04 -0.03 0.08 0.87 -1.84 117.98 116.26 2kgl s PHE 79 Ca -0.04 1.12 -0.09 0.00 0.12 0.00 0.00 56.93 58.04 2kgl s PHE 79 Cb -0.03 0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.49 2kgl s PHE 79 CO 0.02 -0.40 0.22 0.54 -0.10 0.00 0.00 175.22 175.50 2kgl s VAL 80 N 2.48 0.04 -0.39 -0.44 0.11 -1.18 -0.41 120.40 120.60 2kgl s VAL 80 Ca 0.01 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2kgl s VAL 80 Cb -0.12 -0.42 0.16 0.00 -1.53 0.00 0.00 36.38 34.47 2kgl s VAL 80 CO -0.10 -0.17 0.30 0.28 -3.33 0.00 0.00 175.10 172.08 2kgl s THR 81 N -0.64 0.17 -0.22 5.04 -1.32 0.75 -2.87 115.64 116.55 2kgl s THR 81 Ca -0.07 -2.12 -0.32 0.00 -1.21 0.00 0.00 61.69 57.97 2kgl s THR 81 Cb -0.04 -1.12 0.15 0.00 -1.51 0.00 0.00 72.50 69.98 2kgl s THR 81 CO 0.01 -1.06 1.22 0.54 -2.21 0.00 0.00 174.62 173.13 2kgl s VAL 82 N 0.58 0.00 -0.63 5.08 0.11 0.46 -2.04 120.40 123.95 2kgl s VAL 82 Ca 0.26 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.05 2kgl s VAL 82 Cb -0.08 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2kgl s VAL 82 CO -0.10 0.00 2.04 -0.44 -3.33 0.00 0.00 175.10 173.27 2kgl s SER 83 N -1.61 4.96 0.00 3.54 0.01 -1.26 -3.13 113.70 116.20 2kgl s SER 83 Ca 0.07 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2kgl s SER 83 Cb -0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2kgl s SER 83 CO -0.05 -2.65 0.00 0.61 0.41 0.00 0.00 173.24 171.57 2kgl n GLY 84 N 6.00 -0.39 0.00 3.44 0.00 -1.26 -4.66 105.19 108.33 2kgl n GLY 84 Ca 0.29 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -1.11 0.00 -4.57 1.61 4.05 -1.26 -4.84 115.26 109.14 2kgl n ASN 85 Ca 0.00 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.75 2kgl n ASN 85 Cb 0.00 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 40.95 2kgl n ASN 85 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2kgl s PRO 86 N -1.45 2.51 0.00 1.20 0.04 -1.26 -4.37 135.00 131.67 2kgl s PRO 86 Ca 0.00 -0.92 0.04 0.00 0.04 0.00 0.00 61.00 60.16 2kgl s PRO 86 Cb 0.00 -5.19 0.06 0.00 0.04 0.00 0.00 34.50 29.41 2kgl s PRO 86 CO 0.00 -3.82 0.89 -2.37 0.04 0.00 0.00 177.00 171.74 2kgl n THR 87 N 7.83 0.00 0.14 1.26 5.66 -1.26 -4.54 114.28 123.36 2kgl n THR 87 Ca 0.43 -0.14 -0.12 0.00 -3.05 0.00 0.00 64.05 61.18 2kgl n THR 87 Cb 0.47 0.44 -0.07 0.00 -1.55 0.00 0.00 70.33 69.61 2kgl n THR 87 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2kgl h GLU 88 N 0.14 -0.59 0.02 1.09 4.81 -1.91 0.44 114.58 118.57 2kgl h GLU 88 Ca -0.07 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2kgl h GLU 88 Cb 1.37 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2kgl h GLU 88 CO -0.01 -0.39 -0.01 -0.22 -0.73 0.00 0.00 179.01 177.65 2kgl h LYS 89 N -0.61 -0.02 -0.92 1.92 3.64 -1.98 -2.91 116.57 115.69 2kgl h LYS 89 Ca -0.02 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.55 2kgl h LYS 89 Cb 0.57 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 2kgl h LYS 89 CO -0.13 0.16 0.49 0.93 -2.27 0.00 0.00 179.45 178.62 2kgl h GLU 90 N -0.20 0.58 -0.17 1.90 3.07 -1.90 -1.62 114.58 116.24 2kgl h GLU 90 Ca -0.00 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.87 2kgl h GLU 90 Cb 0.19 -0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 27.91 2kgl h GLU 90 CO 0.00 0.38 -0.31 1.15 -1.40 0.00 0.00 179.01 178.84 2kgl h THR 91 N 0.60 0.30 -0.74 1.13 2.02 0.09 0.15 112.91 116.45 2kgl h THR 91 Ca 0.54 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.93 2kgl h THR 91 Cb 0.89 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2kgl h THR 91 CO -0.42 0.00 0.57 -0.33 0.37 0.00 0.00 175.52 175.71 2kgl h GLU 92 N -0.36 0.00 0.03 6.66 5.08 -1.29 0.36 114.58 125.06 2kgl h GLU 92 Ca 0.11 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.24 2kgl h GLU 92 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2kgl h GLU 92 CO -0.37 0.00 -1.07 0.93 -1.00 0.00 0.00 179.01 177.50 2kgl h GLU 93 N 0.00 0.07 -0.26 2.33 4.39 -0.67 -3.34 114.58 117.09 2kgl h GLU 93 Ca 0.35 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.99 2kgl h GLU 93 Cb 1.49 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 30.11 2kgl h GLU 93 CO -0.00 1.05 -0.32 0.82 -1.16 0.00 0.00 179.01 179.40 2kgl h ILE 94 N 0.02 0.26 -0.99 3.13 2.04 0.14 -0.06 117.51 122.05 2kgl h ILE 94 Ca -0.05 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.00 2kgl h ILE 94 Cb 1.83 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 38.07 2kgl h ILE 94 CO 0.15 0.00 0.61 0.74 0.00 0.00 0.00 178.15 179.65 2kgl h THR 95 N -0.32 0.72 0.81 -0.27 2.02 -1.67 0.31 112.91 114.50 2kgl h THR 95 Ca 0.13 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2kgl h THR 95 Cb 0.54 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2kgl h THR 95 CO -0.44 0.13 -0.39 -1.28 0.37 0.00 0.00 175.52 173.91 2kgl h SER 96 N 0.73 -0.92 -0.57 4.18 0.87 -1.20 -3.06 113.55 113.58 2kgl h SER 96 Ca 0.56 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 61.21 2kgl h SER 96 Cb 0.92 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2kgl h SER 96 CO -0.34 -0.57 0.38 -0.07 -0.53 0.00 0.00 176.83 175.69 2kgl h LEU 97 N -1.27 0.48 -1.69 2.23 3.38 -0.76 -1.19 115.31 116.49 2kgl h LEU 97 Ca -0.11 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.08 2kgl h LEU 97 Cb 0.84 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2kgl h LEU 97 CO 0.18 0.31 0.60 -0.25 0.09 0.00 0.00 178.44 179.37 2kgl h TRP 98 N 0.54 0.34 -0.92 1.13 2.91 -0.30 0.10 115.95 119.76 2kgl h TRP 98 Ca 0.25 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.41 2kgl h TRP 98 Cb 0.28 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 28.75 2kgl h TRP 98 CO -0.00 0.09 0.59 0.37 -1.03 0.00 0.00 178.44 178.46 2kgl h GLN 99 N 0.25 0.79 0.18 2.65 5.75 -1.17 0.67 115.11 124.23 2kgl h GLN 99 Ca 0.45 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.89 2kgl h GLN 99 Cb 1.34 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2kgl h GLN 99 CO -0.12 0.52 -0.09 0.78 -2.65 0.00 0.00 178.83 177.28 2kgl h GLY 100 N 0.81 -0.26 1.80 2.39 0.00 -0.95 -3.19 103.07 103.67 2kgl h GLY 100 Ca 0.46 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.91 2kgl h GLY 100 CO -0.22 -0.09 0.07 1.76 0.00 0.00 0.00 176.54 178.06 2kgl h SER 101 N -0.76 0.00 -0.62 0.19 0.02 -1.42 -1.29 113.55 109.67 2kgl h SER 101 Ca -0.03 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.04 2kgl h SER 101 Cb 0.51 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2kgl h SER 101 CO 0.04 0.00 0.42 0.25 -1.14 0.00 0.00 176.83 176.40 2kgl h LEU 102 N 0.00 0.31 -1.67 5.07 6.46 -0.86 -0.32 115.31 124.29 2kgl h LEU 102 Ca 0.05 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.00 2kgl h LEU 102 Cb 0.19 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.02 2kgl h LEU 102 CO -0.00 0.18 0.53 0.15 -0.62 0.00 0.00 178.44 178.68 2kgl h PHE 103 N 0.34 0.37 -0.14 1.25 3.04 -1.30 0.24 116.94 120.72 2kgl h PHE 103 Ca 0.29 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.29 2kgl h PHE 103 Cb 0.68 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 2kgl h PHE 103 CO -0.00 0.12 0.19 -0.97 -2.02 0.00 0.00 178.31 175.63 2kgl h ASN 104 N 0.30 0.00 -0.81 0.41 -0.00 -1.22 -3.45 115.58 110.81 2kgl h ASN 104 Ca 0.39 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 56.34 2kgl h ASN 104 Cb 1.08 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 39.26 2kgl h ASN 104 CO -0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 177.43 177.01 2kgl n ALA 105 N -2.26 -0.26 -2.17 1.57 0.00 0.84 -3.70 120.51 114.53 2kgl n ALA 105 Ca 0.01 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 2kgl n ALA 105 Cb 0.30 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 2kgl n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kgl n ASN 106 N -0.82 0.00 -4.27 0.00 5.15 -1.26 -4.88 115.26 109.18 2kgl n ASN 106 Ca -0.17 -1.84 -0.33 0.00 -0.60 0.00 0.00 54.58 51.64 2kgl n ASN 106 Cb 0.57 -0.03 0.17 0.00 -0.53 0.00 0.00 39.78 39.96 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kgl n TYR 107 N 0.17 -1.41 -3.65 1.20 0.18 -1.26 -3.50 117.16 108.88 2kgl n TYR 107 Ca -0.08 0.15 -0.10 0.00 1.88 0.00 0.00 57.90 59.75 2kgl n TYR 107 Cb 0.82 -1.56 -0.11 0.00 -0.38 0.00 0.00 39.34 38.11 2kgl n TYR 107 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2kgl s ASP 108 N -1.82 0.00 -0.21 9.48 1.11 -1.18 -4.74 116.67 119.31 2kgl s ASP 108 Ca 0.55 0.82 -0.17 0.00 0.18 0.00 0.00 52.55 53.94 2kgl s ASP 108 Cb -0.11 1.08 0.06 0.00 1.07 0.00 0.00 42.92 45.02 2kgl s ASP 108 CO 0.66 -0.24 0.54 0.54 1.18 0.00 0.00 175.17 177.86 2kgl s VAL 109 N 2.53 -0.00 0.01 -1.27 0.11 -1.26 -2.54 120.40 117.98 2kgl s VAL 109 Ca -0.00 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2kgl s VAL 109 Cb -0.12 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2kgl s VAL 109 CO -0.11 0.01 -0.14 -1.58 -3.33 0.00 0.00 175.10 169.95 2kgl s GLN 110 N 0.69 1.03 -0.15 1.54 0.74 -1.09 -4.78 119.66 117.63 2kgl s GLN 110 Ca -0.03 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.80 2kgl s GLN 110 Cb -0.05 -1.02 0.01 0.00 1.10 0.00 0.00 33.01 33.05 2kgl s GLN 110 CO -0.05 0.27 -0.21 -0.98 -0.55 0.00 0.00 175.29 173.78 2kgl s ARG 111 N -0.65 3.04 -0.07 1.67 1.70 -1.25 -3.19 118.95 120.19 2kgl s ARG 111 Ca 0.04 -0.84 0.01 0.00 -0.47 0.00 0.00 55.73 54.48 2kgl s ARG 111 Cb -0.06 -2.49 0.02 0.00 -0.57 0.00 0.00 34.95 31.84 2kgl s ARG 111 CO 0.00 -0.05 -0.10 0.12 -1.08 0.00 0.00 175.30 174.19 2kgl s PHE 112 N 0.92 1.30 -0.11 5.89 5.36 -0.73 -4.53 117.98 126.08 2kgl s PHE 112 Ca -0.04 -0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 55.42 2kgl s PHE 112 Cb -0.15 -1.02 0.03 0.00 -0.34 0.00 0.00 43.02 41.54 2kgl s PHE 112 CO -0.04 -0.31 -0.07 0.96 -1.46 0.00 0.00 175.22 174.30 2kgl s ILE 113 N 0.95 0.98 -0.05 3.12 -4.36 -1.26 -2.74 121.20 117.84 2kgl s ILE 113 Ca -0.10 -0.27 -0.10 0.00 -0.26 0.00 0.00 60.65 59.93 2kgl s ILE 113 Cb -0.15 -1.01 0.02 0.00 1.25 0.00 0.00 42.46 42.57 2kgl s ILE 113 CO 0.00 0.35 0.23 -0.69 0.24 0.00 0.00 174.94 175.08 2kgl s VAL 114 N 1.73 0.04 0.57 8.37 1.01 -0.95 -5.03 120.40 126.14 2kgl s VAL 114 Ca 0.05 -0.31 0.29 0.00 0.00 0.00 0.00 61.98 62.02 2kgl s VAL 114 Cb -0.13 -0.44 0.42 0.00 0.00 0.00 0.00 36.38 36.23 2kgl s VAL 114 CO -0.08 -0.17 1.90 1.23 0.00 0.00 0.00 175.10 177.98 2kgl h GLY 115 N 4.89 0.00 0.57 4.51 0.00 -2.05 -1.03 103.07 109.96 2kgl h GLY 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2kgl h GLY 115 CO 0.38 0.00 -0.01 1.76 0.00 0.00 0.00 176.54 178.67 2kgl h SER 116 N 0.00 0.04 -1.25 0.19 0.02 -2.04 -3.49 113.55 107.02 2kgl h SER 116 Ca 0.29 -0.45 0.06 0.00 -0.84 0.00 0.00 61.79 60.85 2kgl h SER 116 Cb 1.36 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2kgl h SER 116 CO -0.00 0.48 0.22 -0.90 -1.14 0.00 0.00 176.83 175.48 2kgl n ASP 117 N -4.85 -0.61 -4.10 3.07 5.75 -0.39 -4.69 116.55 110.74 2kgl n ASP 117 Ca -0.08 -1.31 -0.21 0.00 -0.01 0.00 0.00 54.79 53.18 2kgl n ASP 117 Cb 0.24 0.98 -0.15 0.00 -1.03 0.00 0.00 41.12 41.17 2kgl n ASP 117 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2kgl s ARG 118 N -2.02 1.04 -0.03 0.11 3.00 -1.18 -2.23 118.95 117.64 2kgl s ARG 118 Ca 0.08 -0.53 -0.01 0.00 -1.00 0.00 0.00 55.73 54.28 2kgl s ARG 118 Cb -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 34.95 33.96 2kgl s ARG 118 CO 0.02 0.27 0.05 0.00 0.00 0.00 0.00 175.30 175.64 2kgl s ALA 119 N -0.41 0.18 -0.14 6.12 0.00 -1.11 -0.40 121.76 126.00 2kgl s ALA 119 Ca 0.04 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 2kgl s ALA 119 Cb -0.06 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.64 2kgl s ALA 119 CO -0.00 -0.33 0.36 -1.50 0.00 0.00 0.00 175.76 174.29 2kgl s ILE 120 N 1.70 -0.01 0.03 0.00 2.07 -1.14 -1.78 121.20 122.06 2kgl s ILE 120 Ca -0.01 0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 2kgl s ILE 120 Cb -0.12 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2kgl s ILE 120 CO -0.03 0.02 -0.10 0.72 -1.91 0.00 0.00 174.94 173.64 2kgl s PHE 121 N 0.73 0.85 -0.11 3.50 -0.71 -1.19 -3.13 117.98 117.91 2kgl s PHE 121 Ca -0.04 -0.32 -0.05 0.00 -1.04 0.00 0.00 56.93 55.48 2kgl s PHE 121 Cb -0.06 -0.51 0.05 0.00 -1.21 0.00 0.00 43.02 41.30 2kgl s PHE 121 CO -0.05 -0.02 0.25 0.00 -1.34 0.00 0.00 175.22 174.06 2kgl s MET 122 N -0.96 0.17 -0.01 1.99 0.23 -0.76 -2.68 119.30 117.27 2kgl s MET 122 Ca -0.02 0.63 -0.12 0.00 -1.03 0.00 0.00 55.69 55.15 2kgl s MET 122 Cb -0.07 -0.09 0.01 0.00 -1.53 0.00 0.00 34.83 33.15 2kgl s MET 122 CO 0.01 -0.23 0.24 -1.17 -2.03 0.00 0.00 175.02 171.84 2kgl s LEU 123 N 1.84 1.14 0.38 0.18 2.96 -1.05 -1.41 118.68 122.72 2kgl s LEU 123 Ca -0.04 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 2kgl s LEU 123 Cb -0.11 1.02 0.77 0.00 0.50 0.00 0.00 46.19 48.37 2kgl s LEU 123 CO -0.08 -0.41 1.93 0.08 -1.32 0.00 0.00 176.35 176.54 2kgl h ARG 124 N 4.05 0.32 -7.44 1.98 0.11 -1.86 -3.13 114.38 108.41 2kgl h ARG 124 Ca -0.30 -0.06 -0.50 0.00 0.10 0.00 0.00 59.98 59.22 2kgl h ARG 124 Cb 1.18 -0.05 0.07 0.00 1.11 0.00 0.00 29.97 32.29 2kgl h ARG 124 CO 0.40 0.40 0.41 0.34 0.10 0.00 0.00 179.97 181.62 2kgl s ASP 125 N -6.84 5.63 -0.02 0.08 2.15 -1.26 -4.26 116.67 112.15 2kgl s ASP 125 Ca -0.06 1.24 -0.03 0.00 0.43 0.00 0.00 52.55 54.13 2kgl s ASP 125 Cb 0.16 -2.11 -0.01 0.00 -0.30 0.00 0.00 42.92 40.66 2kgl s ASP 125 CO 0.74 -1.24 -0.05 0.61 -0.17 0.00 0.00 175.17 175.05 2kgl n GLY 126 N -2.86 -0.27 0.48 2.66 0.00 -1.23 -3.69 105.19 100.28 2kgl n GLY 126 Ca 0.07 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2kgl n GLY 126 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 127 N -0.16 -1.51 -0.73 1.61 0.02 -1.95 -0.27 113.55 110.56 2kgl h SER 127 Ca 0.00 0.15 0.21 0.00 -0.84 0.00 0.00 61.79 61.31 2kgl h SER 127 Cb 0.16 0.55 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 2kgl h SER 127 CO 0.00 -0.58 0.53 1.88 -1.14 0.00 0.00 176.83 177.52 2kgl h TYR 128 N -0.80 0.00 -0.14 3.45 -1.99 -2.00 -0.63 116.97 114.86 2kgl h TYR 128 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2kgl h TYR 128 Cb 0.78 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 2kgl h TYR 128 CO -0.40 0.00 0.05 0.00 -0.00 0.00 0.00 178.16 177.80 2kgl h ALA 129 N 1.63 0.18 -0.63 3.88 0.00 -1.26 -2.66 119.26 120.40 2kgl h ALA 129 Ca 0.35 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2kgl h ALA 129 Cb 1.40 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 2kgl h ALA 129 CO -0.00 -0.21 0.17 -1.49 0.00 0.00 0.00 179.25 177.71 2kgl h TRP 130 N 0.05 0.28 0.02 0.00 -0.00 -0.51 0.19 115.95 115.98 2kgl h TRP 130 Ca 0.04 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.98 2kgl h TRP 130 Cb 0.21 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 29.32 2kgl h TRP 130 CO -0.00 -0.00 -0.09 1.49 -0.00 0.00 0.00 178.44 179.83 2kgl h GLU 131 N 0.31 -0.17 -0.01 0.49 4.57 -1.45 -1.89 114.58 116.44 2kgl h GLU 131 Ca 0.33 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2kgl h GLU 131 Cb 0.48 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2kgl h GLU 131 CO -0.39 -0.11 -0.01 0.82 -1.18 0.00 0.00 179.01 178.14 2kgl h ILE 132 N -0.17 1.01 -0.05 2.32 1.08 -1.00 -2.72 117.51 117.98 2kgl h ILE 132 Ca 0.03 -0.06 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 2kgl h ILE 132 Cb 0.20 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 2kgl h ILE 132 CO -0.08 0.02 -0.26 0.50 -0.69 0.00 0.00 178.15 177.64 2kgl h LYS 133 N 0.01 -0.36 -0.36 2.37 3.11 -0.14 0.26 116.57 121.47 2kgl h LYS 133 Ca 0.00 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.82 2kgl h LYS 133 Cb 0.03 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 2kgl h LYS 133 CO 0.00 -0.24 0.03 -0.44 -2.81 0.00 0.00 179.45 176.00 2kgl h ASP 134 N -0.37 0.50 0.45 4.20 3.32 -1.42 -2.14 116.42 120.95 2kgl h ASP 134 Ca 0.08 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2kgl h ASP 134 Cb 0.48 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2kgl h ASP 134 CO -0.26 0.55 -0.45 -0.26 -1.72 0.00 0.00 179.24 177.10 2kgl h PHE 135 N 0.52 0.00 0.12 4.55 0.04 -1.10 -1.98 116.94 119.09 2kgl h PHE 135 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2kgl h PHE 135 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2kgl h PHE 135 CO 0.01 0.45 -0.06 1.25 -0.60 0.00 0.00 178.31 179.36 2kgl h LEU 136 N 0.00 -0.14 -1.82 1.54 6.46 0.16 -3.07 115.31 118.44 2kgl h LEU 136 Ca -0.00 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.87 2kgl h LEU 136 Cb 0.80 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 2kgl h LEU 136 CO 0.06 -0.09 0.35 1.62 -0.62 0.00 0.00 178.44 179.76 2kgl h VAL 137 N -0.20 0.84 -1.00 1.05 3.04 -1.62 -1.30 116.25 117.07 2kgl h VAL 137 Ca -0.02 -0.07 0.17 0.00 -1.01 0.00 0.00 66.70 65.77 2kgl h VAL 137 Cb 0.13 0.63 -0.10 0.00 -2.01 0.00 0.00 31.29 29.94 2kgl h VAL 137 CO 0.03 0.04 0.62 -1.28 -1.01 0.00 0.00 177.57 175.96 2kgl h SER 138 N 0.20 0.82 0.24 3.17 0.87 -1.33 -2.39 113.55 115.14 2kgl h SER 138 Ca 0.23 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2kgl h SER 138 Cb 0.66 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kgl h SER 138 CO -0.04 0.35 -0.12 1.56 -0.53 0.00 0.00 176.83 178.05 2kgl h GLN 139 N 0.83 -0.31 -1.57 2.24 1.08 -1.14 -3.38 115.11 112.86 2kgl h GLN 139 Ca 0.55 0.02 -0.36 0.00 -1.45 0.00 0.00 58.65 57.41 2kgl h GLN 139 Cb 0.77 0.07 -0.09 0.00 -0.05 0.00 0.00 27.48 28.18 2kgl h GLN 139 CO -0.33 0.05 -0.38 -3.47 -0.95 0.00 0.00 178.83 173.74 2kgl n ASP 140 N -5.03 -5.17 -2.64 1.46 2.03 -0.90 -4.68 116.55 101.63 2kgl n ASP 140 Ca -0.09 0.25 -0.03 0.00 0.52 0.00 0.00 54.79 55.44 2kgl n ASP 140 Cb 0.26 -4.24 -0.02 0.00 -0.72 0.00 0.00 41.12 36.41 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kgl n ARG 141 N -2.58 0.16 -3.81 -0.67 0.63 -0.87 -4.82 116.66 104.70 2kgl n ARG 141 Ca -0.19 -0.66 -0.12 0.00 -0.92 0.00 0.00 57.85 55.95 2kgl n ARG 141 Cb 0.62 -0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.42 2kgl n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl s ALA 143 N -0.64 0.04 -0.18 0.00 0.00 -1.26 -0.18 121.76 119.54 2kgl s ALA 143 Ca -0.07 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 2kgl s ALA 143 Cb -0.04 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.43 2kgl s ALA 143 CO 0.01 -0.55 0.38 -1.21 0.00 0.00 0.00 175.76 174.40 2kgl s GLU 144 N 2.23 0.28 0.03 0.00 2.02 0.45 -3.38 118.70 120.33 2kgl s GLU 144 Ca 0.04 0.96 0.05 0.00 0.02 0.00 0.00 54.97 56.03 2kgl s GLU 144 Cb -0.12 0.23 -0.02 0.00 0.10 0.00 0.00 34.13 34.32 2kgl s GLU 144 CO -0.05 -0.27 -0.13 0.14 0.02 0.00 0.00 175.26 174.97 2kgl s VAL 145 N 2.57 1.06 -0.07 2.63 -7.23 -1.26 -0.09 120.40 118.01 2kgl s VAL 145 Ca -0.01 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2kgl s VAL 145 Cb -0.12 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 35.89 2kgl s VAL 145 CO -0.12 0.03 0.02 -0.89 -0.31 0.00 0.00 175.10 173.83 2kgl s THR 146 N -0.78 0.27 -0.00 5.32 2.01 -0.01 -4.76 115.64 117.69 2kgl s THR 146 Ca 0.02 0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2kgl s THR 146 Cb -0.07 -0.46 0.03 0.00 0.01 0.00 0.00 72.50 72.00 2kgl s THR 146 CO 0.01 0.23 0.34 -1.48 -0.69 0.00 0.00 174.62 173.04 2kgl s LEU 147 N 2.01 0.71 0.15 4.42 -0.00 -1.26 -3.19 118.68 121.52 2kgl s LEU 147 Ca 0.05 0.08 -0.24 0.00 -0.00 0.00 0.00 54.13 54.02 2kgl s LEU 147 Cb -0.12 1.41 0.08 0.00 -0.00 0.00 0.00 46.19 47.56 2kgl s LEU 147 CO -0.05 -0.50 1.06 -0.70 -0.00 0.00 0.00 176.35 176.16 2kgl s GLU 148 N -1.61 1.15 -0.40 1.48 2.56 -1.26 -4.85 118.70 115.77 2kgl s GLU 148 Ca -0.11 -0.71 0.05 0.00 0.00 0.00 0.00 54.97 54.19 2kgl s GLU 148 Cb -0.04 0.34 0.45 0.00 2.00 0.00 0.00 34.13 36.88 2kgl s GLU 148 CO 0.03 -0.53 1.34 0.41 -0.56 0.00 0.00 175.26 175.95 2kgl n GLY 149 N -0.65 6.22 0.00 -1.50 0.00 -1.26 -4.24 105.19 103.76 2kgl n GLY 149 Ca -0.04 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.36 2kgl n GLY 149 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kgl n GLN 150 N -0.69 -1.82 -0.38 1.61 0.00 -1.26 -4.69 117.38 110.14 2kgl n GLN 150 Ca 0.46 0.00 0.08 0.00 -0.00 0.00 0.00 57.00 57.54 2kgl n GLN 150 Cb 0.84 0.00 0.22 0.00 0.00 0.00 0.00 30.24 31.30 2kgl n GLN 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kgl n MET 151 N -1.89 2.36 -3.58 3.69 0.00 -1.20 -3.44 117.12 113.05 2kgl n MET 151 Ca 0.00 -2.82 -0.27 0.00 0.00 0.00 0.00 57.70 54.61 2kgl n MET 151 Cb 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 33.22 31.38 2kgl n MET 151 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2kgl n TYR 152 N -0.83 3.19 -1.04 3.17 4.02 0.91 -4.95 117.16 121.64 2kgl n TYR 152 Ca 0.21 -4.16 -0.29 0.00 -0.01 0.00 0.00 57.90 53.64 2kgl n TYR 152 Cb 0.84 -0.55 0.25 0.00 -0.02 0.00 0.00 39.34 39.85 2kgl n TYR 152 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2kgl n PRO 153 N 1.33 -3.11 0.00 -0.72 -0.04 0.85 -3.93 135.00 129.38 2kgl n PRO 153 Ca 0.26 -1.71 0.11 0.00 -0.04 0.00 0.00 63.50 62.11 2kgl n PRO 153 Cb 0.40 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 2kgl n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 154 N -4.62 -0.33 0.45 0.55 0.00 -1.26 -4.14 105.19 95.83 2kgl n GLY 154 Ca 0.15 -0.62 0.27 0.00 0.00 0.00 0.00 46.02 45.82 2kgl n GLY 154 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kgl h LYS 155 N 1.59 0.01 -4.90 1.61 2.10 -1.94 -3.43 116.57 111.62 2kgl h LYS 155 Ca 0.00 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2kgl h LYS 155 Cb 0.66 -0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.90 2kgl h LYS 155 CO 0.00 0.01 -1.33 0.41 -2.00 0.00 0.00 179.45 176.54 2kgl n GLY 156 N -1.70 -4.88 0.00 0.07 0.00 -1.26 -4.78 105.19 92.64 2kgl n GLY 156 Ca 0.17 1.29 0.00 0.00 0.00 0.00 0.00 46.02 47.48 2kgl n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 157 N 1.30 2.91 0.00 -0.02 0.00 -1.26 -4.91 105.19 103.20 2kgl n GLY 157 Ca -0.28 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2kgl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 158 N 0.00 0.72 0.00 -0.02 0.00 -1.26 -5.07 105.19 99.57 2kgl n GLY 158 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2kgl n GLY 158 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 159 N 0.00 0.00 -3.34 1.61 2.88 -1.26 -4.92 113.62 108.58 2kgl n SER 159 Ca 0.00 0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 58.20 2kgl n SER 159 Cb 0.00 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2kgl n SER 159 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 160 N -1.63 -1.48 -0.11 -1.46 0.00 -1.26 -4.96 118.16 107.26 2kgl n LYS 160 Ca 0.00 1.25 -0.17 0.00 0.00 0.00 0.00 58.31 59.39 2kgl n LYS 160 Cb 0.00 -4.33 -0.10 0.00 0.00 0.00 0.00 35.03 30.60 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2kgl n GLU 161 N -1.96 0.54 -2.84 1.64 4.07 -1.26 -4.97 120.64 115.86 2kgl n GLU 161 Ca -0.12 0.14 -0.06 0.00 -0.06 0.00 0.00 57.16 57.06 2kgl n GLU 161 Cb 0.58 -1.42 0.01 0.00 -0.06 0.00 0.00 31.44 30.55 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kgl n LYS 162 N -3.29 -2.11 -4.18 5.31 4.81 -1.25 -5.06 118.16 112.39 2kgl n LYS 162 Ca -0.40 1.96 -0.11 0.00 -0.87 0.00 0.00 58.31 58.89 2kgl n LYS 162 Cb 0.90 -5.55 -0.10 0.00 0.02 0.00 0.00 35.03 30.30 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kgl s ASN 163 N -2.63 0.94 0.23 3.14 0.01 -1.25 -5.10 114.94 110.28 2kgl s ASN 163 Ca 0.20 -1.10 -0.11 0.00 -0.71 0.00 0.00 52.86 51.13 2kgl s ASN 163 Cb -0.06 0.15 -0.07 0.00 0.41 0.00 0.00 41.25 41.68 2kgl s ASN 163 CO 0.74 -0.56 0.58 -0.54 -1.51 0.00 0.00 177.10 175.80 2kgl s LYS 164 N -3.91 3.87 -0.38 -0.60 1.02 -1.26 -4.39 119.74 114.09 2kgl s LYS 164 Ca 0.18 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.59 2kgl s LYS 164 Cb 0.06 -2.68 0.16 0.00 -0.52 0.00 0.00 37.83 34.86 2kgl s LYS 164 CO -0.01 0.33 0.42 0.95 -0.92 0.00 0.00 175.35 176.12 2kgl s THR 165 N -1.76 -0.43 -0.02 2.17 -4.23 -1.26 -5.01 115.64 105.09 2kgl s THR 165 Ca 0.46 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.93 2kgl s THR 165 Cb -0.12 -0.56 -0.09 0.00 1.34 0.00 0.00 72.50 73.07 2kgl s THR 165 CO 0.20 -0.50 0.70 0.11 -0.54 0.00 0.00 174.62 174.59 2kgl h LYS 166 N 6.96 -0.56 -0.07 3.99 1.79 -1.99 -1.98 116.57 124.71 2kgl h LYS 166 Ca 0.06 0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.45 2kgl h LYS 166 Cb 1.07 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2kgl h LYS 166 CO 0.18 -0.37 -0.47 -1.00 -1.08 0.00 0.00 179.45 176.71 2kgl h PRO 167 N -1.08 0.16 0.00 3.15 0.13 -2.03 -2.87 132.00 129.47 2kgl h PRO 167 Ca -0.06 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 64.93 2kgl h PRO 167 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 2kgl h PRO 167 CO 0.10 0.60 -0.24 0.93 -0.23 0.00 0.00 178.00 179.16 2kgl h GLU 168 N 0.13 0.00 -0.01 0.86 3.07 -1.97 -3.13 114.58 113.54 2kgl h GLU 168 Ca 0.01 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 2kgl h GLU 168 Cb 0.88 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.74 2kgl h GLU 168 CO 0.07 0.24 -0.38 -0.22 -1.40 0.00 0.00 179.01 177.32 2kgl h LYS 169 N 0.00 -0.51 -0.02 2.33 3.11 -1.11 -1.73 116.57 118.64 2kgl h LYS 169 Ca -0.00 0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.75 2kgl h LYS 169 Cb 0.90 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.23 2kgl h LYS 169 CO 0.03 -0.34 -0.56 0.00 -2.81 0.00 0.00 179.45 175.77 2kgl h ALA 170 N 0.09 1.04 -0.40 5.00 0.00 -1.71 -3.12 119.26 120.16 2kgl h ALA 170 Ca 0.06 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 54.53 2kgl h ALA 170 Cb 0.62 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2kgl h ALA 170 CO -0.31 0.70 -0.05 -0.22 0.00 0.00 0.00 179.25 179.37 2kgl h LYS 171 N 0.04 0.05 0.14 0.00 3.64 -1.28 0.25 116.57 119.40 2kgl h LYS 171 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kgl h LYS 171 Cb 1.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2kgl h LYS 171 CO 0.08 0.03 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.00 2kgl h LYS 172 N 0.05 -0.18 -0.22 1.90 1.63 -1.36 -2.74 116.57 115.65 2kgl h LYS 172 Ca 0.20 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.07 2kgl h LYS 172 Cb 0.29 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2kgl h LYS 172 CO -0.37 0.11 0.24 -0.22 -3.45 0.00 0.00 179.45 175.75 2kgl h LYS 173 N -0.47 0.00 0.00 1.90 3.64 -1.41 0.23 116.57 120.46 2kgl h LYS 173 Ca -0.02 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2kgl h LYS 173 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2kgl h LYS 173 CO 0.03 0.00 -0.29 0.93 -2.27 0.00 0.00 179.45 177.86 2kgl h GLU 174 N 0.00 0.00 0.00 1.90 4.39 -0.21 -3.44 114.58 117.22 2kgl h GLU 174 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2kgl h GLU 174 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2kgl h GLU 174 CO -0.00 0.29 0.00 0.41 -1.16 0.00 0.00 179.01 178.54 2kgl n GLY 175 N 0.09 2.18 0.45 -3.84 0.00 0.80 -2.47 105.19 102.40 2kgl n GLY 175 Ca -0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 2kgl n GLY 175 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kgl h ASP 176 N 0.00 -0.95 -0.07 1.61 3.58 -1.80 -0.79 116.42 118.01 2kgl h ASP 176 Ca 0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2kgl h ASP 176 Cb 0.00 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kgl h ASP 176 CO 0.00 -0.61 -0.06 1.55 -2.88 0.00 0.00 179.24 177.24 2kgl h PRO 177 N -1.25 0.16 -2.60 0.28 0.13 -1.95 -3.37 132.00 123.39 2kgl h PRO 177 Ca -0.11 -0.08 -0.61 0.00 -0.87 0.00 0.00 66.00 64.32 2kgl h PRO 177 Cb 0.87 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.58 2kgl h PRO 177 CO 0.19 0.60 -0.60 1.17 -0.23 0.00 0.00 178.00 179.13 2kgl n LYS 178 N -4.72 2.15 -1.83 0.86 4.81 -1.25 -5.02 118.16 113.16 2kgl n LYS 178 Ca -0.07 -4.54 -0.32 0.00 -0.87 0.00 0.00 58.31 52.50 2kgl n LYS 178 Cb 0.30 -2.24 -0.06 0.00 0.02 0.00 0.00 35.03 33.04 2kgl n LYS 178 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2kgl n PRO 179 N 1.39 1.55 0.00 1.64 -0.04 -0.30 -2.84 135.00 136.41 2kgl n PRO 179 Ca 0.25 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 2kgl n PRO 179 Cb 0.39 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 2kgl n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgl n ARG 180 N 7.97 0.00 -0.14 0.54 1.74 -1.03 -4.93 116.66 120.80 2kgl n ARG 180 Ca 0.46 0.00 0.27 0.00 -0.77 0.00 0.00 57.85 57.81 2kgl n ARG 180 Cb 0.45 0.00 0.72 0.00 -1.02 0.00 0.00 32.46 32.61 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kgl h ALA 181 N 0.00 2.78 -1.01 7.54 0.00 -1.70 -0.02 119.26 126.86 2kgl h ALA 181 Ca 0.00 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.06 2kgl h ALA 181 Cb 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 2kgl h ALA 181 CO 0.00 -1.02 0.62 1.03 0.00 0.00 0.00 179.25 179.87 2kgl h SER 182 N 0.00 0.81 -1.00 0.00 0.87 -1.81 0.24 113.55 112.66 2kgl h SER 182 Ca 0.39 0.09 0.08 0.00 -1.23 0.00 0.00 61.79 61.12 2kgl h SER 182 Cb 1.58 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 63.41 2kgl h SER 182 CO -0.00 0.31 0.64 0.11 -0.53 0.00 0.00 176.83 177.36 2kgl h LYS 183 N 0.81 1.10 0.15 2.24 1.79 -1.32 0.14 116.57 121.46 2kgl h LYS 183 Ca 0.57 -0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.78 2kgl h LYS 183 Cb 0.83 -0.25 0.02 0.00 -1.58 0.00 0.00 32.23 31.25 2kgl h LYS 183 CO -0.36 0.73 -0.84 0.93 -1.08 0.00 0.00 179.45 178.82 2kgl h GLU 184 N 1.13 0.31 0.72 3.15 5.08 -0.99 -3.08 114.58 120.89 2kgl h GLU 184 Ca 0.45 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2kgl h GLU 184 Cb 0.25 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kgl h GLU 184 CO -0.20 1.25 -0.50 -0.44 -1.00 0.00 0.00 179.01 178.13 2kgl h ASP 185 N -0.35 -1.29 -1.00 1.42 3.32 -0.34 -2.24 116.42 115.93 2kgl h ASP 185 Ca -0.15 0.08 0.17 0.00 0.02 0.00 0.00 57.03 57.16 2kgl h ASP 185 Cb 1.66 0.39 -0.10 0.00 0.22 0.00 0.00 39.33 41.50 2kgl h ASP 185 CO 0.16 -0.74 0.62 0.78 -1.72 0.00 0.00 179.24 178.34 2kgl h ASN 186 N -1.16 0.82 -0.59 6.45 2.35 -0.90 0.16 115.58 122.71 2kgl h ASN 186 Ca -0.10 0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2kgl h ASN 186 Cb 0.95 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 2kgl h ASN 186 CO 0.06 0.33 0.39 0.03 -1.65 0.00 0.00 177.43 176.59 2kgl h ARG 187 N 0.82 0.59 0.64 0.81 3.08 -1.37 -2.99 114.38 115.96 2kgl h ARG 187 Ca 0.56 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.54 2kgl h ARG 187 Cb 0.81 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.73 2kgl h ARG 187 CO -0.35 0.39 -0.31 0.00 -1.07 0.00 0.00 179.97 178.63 2kgl h ALA 188 N 1.67 -1.22 -3.66 0.04 0.00 -0.10 -3.39 119.26 112.61 2kgl h ALA 188 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kgl h ALA 188 Cb 0.22 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kgl h ALA 188 CO -0.07 -1.16 -0.68 0.41 0.00 0.00 0.00 179.25 177.76 2kgl n GLY 189 N -1.39 -4.90 0.14 0.00 0.00 -1.13 -0.19 105.19 97.71 2kgl n GLY 189 Ca -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 190 N 1.29 2.04 -2.59 1.61 2.88 -1.26 -1.45 113.62 116.15 2kgl n SER 190 Ca 0.00 -1.08 -0.03 0.00 -1.33 0.00 0.00 58.87 56.43 2kgl n SER 190 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kgl n ARG 191 N -0.05 -2.55 -4.42 -1.46 0.00 -1.26 -3.59 116.66 103.33 2kgl n ARG 191 Ca -0.01 2.20 -0.39 0.00 -0.00 0.00 0.00 57.85 59.64 2kgl n ARG 191 Cb 0.02 -4.90 -0.08 0.00 0.00 0.00 0.00 32.46 27.50 2kgl n ARG 191 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2kgl n ARG 192 N 0.16 -0.76 0.07 -0.14 1.85 -1.26 -4.71 116.66 111.87 2kgl n ARG 192 Ca 0.05 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 2kgl n ARG 192 Cb 0.18 -4.36 0.00 0.00 -1.05 0.00 0.00 32.46 27.23 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kgl n GLU 193 N -4.04 0.00 -3.45 2.89 0.00 -1.24 -5.08 120.64 109.72 2kgl n GLU 193 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.02 2kgl n GLU 193 Cb 0.48 -0.20 0.02 0.00 0.00 0.00 0.00 31.44 31.75 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2kgl n ASP 194 N -3.21 -6.19 0.00 4.31 8.00 -0.53 -4.95 116.55 113.98 2kgl n ASP 194 Ca 0.00 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2kgl n ASP 194 Cb 0.00 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70